Geometry & MOs

Info

ID:	122333
PubChem CID:	50802888
Reduced:	SO3N5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	479.142739
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	4.11
IP(EA), eV:	-9.0(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)CCC5=CC=CC=C5

DOS

IR

Vibrations